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root/OpenMD/branches/development/src/visitors/AtomVisitor.cpp
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Comparing trunk/src/visitors/AtomVisitor.cpp (file contents):
Revision 247 by tim, Wed Jan 12 23:15:37 2005 UTC vs.
Revision 413 by tim, Wed Mar 9 17:30:29 2005 UTC

# Line 42 | Line 42
42   #include <cstring>
43   #include "visitors/AtomVisitor.hpp"
44   #include "primitives/DirectionalAtom.hpp"
45 – #include "math/MatVec3.h"
45   #include "primitives/RigidBody.hpp"
46  
47   namespace oopse {
# Line 133 | Line 132 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
132      newVec = rotTrans * u;
133  
134      atomInfo = new AtomInfo;
135 <    atomInfo->AtomType = "X";
135 >    atomInfo->atomTypeName = "X";
136      atomInfo->pos[0] = pos[0];
137      atomInfo->pos[1] = pos[1];
138      atomInfo->pos[2] = pos[2];
# Line 148 | Line 147 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
147      newVec = rotTrans * ox;
148  
149      atomInfo = new AtomInfo;
150 <    atomInfo->AtomType = "O";
150 >    atomInfo->atomTypeName = "O";
151      atomInfo->pos[0] = pos[0] + newVec[0];
152      atomInfo->pos[1] = pos[1] + newVec[1];
153      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 161 | Line 160 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
160      //matVecMul3(rotTrans, h1, newVec);
161      newVec = rotTrans * h1;
162      atomInfo = new AtomInfo;
163 <    atomInfo->AtomType = "H";
163 >    atomInfo->atomTypeName = "H";
164      atomInfo->pos[0] = pos[0] + newVec[0];
165      atomInfo->pos[1] = pos[1] + newVec[1];
166      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 174 | Line 173 | void SSDAtomVisitor::visit(DirectionalAtom *datom) {
173      //matVecMul3(rotTrans, h2, newVec);
174      newVec = rotTrans * h2;
175      atomInfo = new AtomInfo;
176 <    atomInfo->AtomType = "H";
176 >    atomInfo->atomTypeName = "H";
177      atomInfo->pos[0] = pos[0] + newVec[0];
178      atomInfo->pos[1] = pos[1] + newVec[1];
179      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 268 | Line 267 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
267  
268      newVec = rotTrans * c1;
269      atomInfo = new AtomInfo;
270 <    atomInfo->AtomType = "C";
270 >    atomInfo->atomTypeName = "C";
271      atomInfo->pos[0] = pos[0] + newVec[0];
272      atomInfo->pos[1] = pos[1] + newVec[1];
273      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 279 | Line 278 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
278  
279      newVec = rotTrans * c2;
280      atomInfo = new AtomInfo;
281 <    atomInfo->AtomType = "C";
281 >    atomInfo->atomTypeName = "C";
282      atomInfo->pos[0] = pos[0] + newVec[0];
283      atomInfo->pos[1] = pos[1] + newVec[1];
284      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 290 | Line 289 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
289  
290      newVec = rotTrans * c3;
291      atomInfo = new AtomInfo;
292 <    atomInfo->AtomType = "C";
292 >    atomInfo->atomTypeName = "C";
293      atomInfo->pos[0] = pos[0] + newVec[0];
294      atomInfo->pos[1] = pos[1] + newVec[1];
295      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 301 | Line 300 | void LinearAtomVisitor::visit(DirectionalAtom* datom){
300  
301      newVec = rotTrans * c4;
302      atomInfo = new AtomInfo;
303 <    atomInfo->AtomType = "C";
303 >    atomInfo->atomTypeName = "C";
304      atomInfo->pos[0] = pos[0] + newVec[0];
305      atomInfo->pos[1] = pos[1] + newVec[1];
306      atomInfo->pos[2] = pos[2] + newVec[2];
# Line 356 | Line 355 | void DefaultAtomVisitor::visit(Atom *atom) {
355      atomData->setID("ATOMDATA");
356  
357      pos = atom->getPos();
358 <    atomInfo->AtomType = atom->getType();
358 >    atomInfo->atomTypeName = atom->getType();
359      atomInfo->pos[0] = pos[0];
360      atomInfo->pos[1] = pos[1];
361      atomInfo->pos[2] = pos[2];
# Line 381 | Line 380 | void DefaultAtomVisitor::visit(DirectionalAtom *datom)
380          return;
381  
382      pos = datom->getPos();
383 <    u = datom->getElectroFrame().getColumn(3);
383 >    u = datom->getElectroFrame().getColumn(2);
384  
385      atomData = new AtomData;
386      atomData->setID("ATOMDATA");
387      atomInfo = new AtomInfo;
388  
389 <    atomInfo->AtomType = datom->getType();
389 >    atomInfo->atomTypeName = datom->getType();
390      atomInfo->pos[0] = pos[0];
391      atomInfo->pos[1] = pos[1];
392      atomInfo->pos[2] = pos[2];

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